4,7-Dichloroquinoline (HCID 6866)

Namen und Bezeichner

Bevorzugter Name: 4,7-Dichloroquinoline
IUPAC: 4,7-dichloroquinoline
Lokaler Name: 4,7-Dichlorchinolin
Englischer Name: 4,7-Dichloroquinoline
Summenformel: C9H5Cl2N
Molmasse: 198.05

Namen und Synonyme

4,7-Dichloroquinoline86-98-6QUINOLINE, 4,7-DICHLORO-DTXSID0052590NSC-593Z61O2HEQ2JDTXCID7031163RefChem:96722201-714-7Amodiaquine Impurity 1MFCD000067744,7-Dichloro-quinoline

Weitere Namen anzeigen

COPPER SEBACATESulfate Impurity4,7-dichloro-quinolinChloroquine Related CoMpound Atl14734, 7-dichloroquine7-DichloroquinolineChloroquine USP RC AAmodiaquine Impurity

TL 1473BRN 01253594,7-Dichloroquinoline, 97%NSC5931138471-54-15-20-07-00316 (Beilstein Handbook Reference)Tox21_303863AM81211

Datenbank-Bezeichner

CAS: 86-98-6
PubChem CID: 6866
DTXSID: DTXSID0052590
ChEMBL: CHEMBL319828
UNII: Z61O2HEQ2J
EC Number: 201-714-7
Nikkaji: J3.898I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.00077 [mmHg]

Physical DescriptionCrystals; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-83 °C (lit.)
Siedepunkt: 298.4 °F · 298.4 °F (148°C)
Dichte: 1.4178 · 1.4178 (rough estimate)
Dampfdruck: 0.103 Pa · 0.103Pa at 25℃
Brechungsindex: 1.63 · 1.6300 (estimate)
Flammpunkt: 164 °C · 164 °C
storage temp.: 2 · 2-30°C
Löslichkeit: 50 mg/mL, · chloroform: soluble50mg/mL, clear, colorless to greenish-yellow
pka: 1.99 · 1.99±0.27(Predicted)
Aggregatzustand: Powder
Farbe: White to pale brown
PH: 3.86 · 3.86 (24.9°C)
Biologische Quelle: synthetic
Wasserlöslichkeit: insoluble
BRN: 125359 · 125359
Henry's Law Constant: 2.6 · 2.6×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N
SMILES: Clc1ccc2c(Cl)ccnc2c1
LogP: 3.193 at · 3.193 at 25℃
CAS Datenbank: 86 · 86-98-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · Quinoline, 4,7-dichloro-(86-98-6)
EPA chemische Informationen: 4 · 4,7-Dichloroquinoline (86-98-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (91.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (20.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (83.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (14.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Quinoline, 4,7-dichloro-

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21034；Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22661

Hazards SummarySubcutaneous LDLo (mouse) = 80 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (91.2%)；Skin Sens. 1B (20.6%)；Eye Irrit. 2 (83.8%)；STOT SE 3 (66.2%)；Aquatic Chronic 2 (14.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Quinoline, 4,7-dichloro-

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21034；Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22661

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29334910
RTECS-Nr.: VB4200000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-22
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationQuinoline, 4,7-dichloro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4,7-Dichloroquinoline is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti -microbial agents showing efficacy against common bacterial strains. Chloroquinoline impurity.